SCHEMBL7731366

SCHEMBL7731366

CCCCc1ccc(OC(F)(F)c2ccc(C(F)(F)Oc3ccc(CCC)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
PLK1 P53350 1/20 0.38
THRB P10828 3/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PSEN1 P49768 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7732798 0.97 CA2 (0.41) FAAHCA2CA1PLK1THRB
SCHEMBL7732323 0.95 FAAH (0.44) FAAHTHRBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7723101 0.94 FAAH (0.47) FAAHTHRBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7733153 0.94 FAAH (0.47) FAAHTHRBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7734594 0.94 FAAH (0.47) FAAHTHRBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7730942 0.94 FAAH (0.47) FAAHTHRBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7731581 0.94 FAAH (0.47) FAAHTHRBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7731911 0.94 FAAH (0.45) FAAHTHRBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL14749530 0.93 THRB (0.41) PLK1THRBPPARAALDH1A1MEN1
SCHEMBL7735368 0.93 THRB (0.41) PLK1THRBPPARAALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed